4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole

C18H14N4 — CID 56953606

IUPAC4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccccn1
InChIInChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3
InChIKeyWDKLQTCTEXQEBO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole

4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole (PubChem CID 56953606) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole
PubChem CID56953606
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccccn1
InChIInChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3
InChIKeyWDKLQTCTEXQEBO-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole (CID 56953606) is 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole is Cc1ccncc1-c1cccc2c1ncn2-c1ccccn1.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole?
The InChIKey is WDKLQTCTEXQEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3.
What are the key properties of 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole?
4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 56953606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).